4-butyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(3-methylisoxazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(3-methyl-5-isoxazolyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(3-methylisoxazol-5-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC(=NO2)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC(=NO2)C

InChI

InChI=1S/C11H16N4O2S/c1-3-4-5-15-10(16)12-13-11(15)18-7-9-6-8(2)14-17-9/h6H,3-5,7H2,1-2H3,(H,12,16)